UCSF

ZINC33836118

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 9.19 -14.02 1 5 0 64 324.427 4
Hi High (pH 8-9.5) 2.67 8.74 -43.3 0 5 -1 67 323.419 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )